Ali Hassanali

Permanent Scientific Staff
Senior Research Scientist
Ali Hassanali
Condensed Matter and Statistical Physics
+39 040 2240 175
ahassana@ictp.it
+39 040 2240 175
ahassana@ictp.it
LB-247
https://sites.google.com/view/alihassanaliresearchgroup/
0000-0002-3208-1488

Ali Hassanali

I obtained my PhD in 2010 at The Ohio State University working on the development and application of computational models to study water near interfaces. After a 3 year Postdoc with Prof. Michele Parrinello, I moved to the CMSP group at the ICTP where I began my independent career.

My research is at the boundary between physics, chemistry and biology. I am interested in the physical chemistry of liquids with a special focus on aqueous systems. We use advanced computational techniques including both classical and first principles electronic structure approaches to investigate the structural, dynamical and electronic properties of organic matter immersed in water. We collaborate with leading experimental groups in the field.

Personal Information:

Name:                    Hassanali, Ali

Researcher IDs:     Google Scholar

Date of Birth:          December 29, 1979

Nationality:             Tanzanian

Website:                 http://users.ictp.it/~ahassana/index.html

 

Education:

2004 – 2010                 PhD in Biophysics at The Ohio-State University, Columbus Ohio, USA. PhD awarded in August 2010 on “Water at molecular interfaces: structure and dynamics near biomolecules and amorphous silica”

2002 – 2004                 M.S. in Mathematics at Purdue University, West-Lafayette, Indiana, USA.

2002 – 2004                 BSc. in Mathematics and Computer Science at Purdue University, West-Lafayette, Indiana, USA.

Current Position:

2019 – present             Tenured Research Scientist at The International Center for Theoretical Physics (ICTP), Trieste, Italy

Previous Positions:

2015 – 2018                 Tenure-track Junior Research Scientist at The International Center for Theoretical Physics (ICTP), Trieste, Italy

2013 – 2015                 Senior-Postdoctoral Fellow at The International Center for Theoretical Physics (ICTP), Trieste, Italy

2010 – 2013                 Postdoctoral Research Fellow at the ETH-Z and University of Lugano, Switzerland.

Fellowships and Awards:

2010 – 2013                 Postdoctoral Fellowship with Prof. Michele Parrinello at ETH Lugano.

2009 – 2010                 Presidential Fellowship from Graduate Program at Ohio State University

2009                              Outstanding Research Award in Biophysics Graduate Program

 

Publications

Preprint
2024
Evidence of ferroelectric features in low-density supercooled water from ab initio deep neural-network simulations
Cesare Malosso | Natalia Manko | Maria Grazia Izzo | Stefano Baroni | Ali Hassanali
Preprint
2024
Exploring the Mechanisms Behind Non Aromatic Fluorescence with Density Functional Tight Binding Method
Gonzalo Díaz Mirón | Carlos R. Lien-Medrano | Debarshi Banerjee | Uriel N. Morzan | Michael A. Sentef | Ralph Gebauer | Ali Hassanali
Preprint
2024
Aqueous Solution Chemistry In Silico and the Role of Data Driven Approaches
Debarshi Banerjee | Khatereh Azizi | Colin K. Egan | Edward Danquah Donkor | Cesare Malosso | Solana Di Pino | Gonzalo Diaz Miron | Martina Stella | Giulia Sormani | Germaine Neza Hozana | Marta Monti | Uriel N. Morzan ...
Preprint
2024
Beyond Local Structures In Critical Supercooled Water Through Unsupervised Learning
Edward Danquah Donkor | Adu Offei-Danso | Alex Rodriguez | Francesco Sciortino | Ali Hassanali
Journal article
2024
Beyond Local Structures in Critical Supercooled Water through Unsupervised Learning
The Journal of Physical Chemistry Letters (2024)
Edward Danquah Donkor | Adu Offei-Danso | Alex Rodriguez | Francesco Sciortino | Ali Hassanali
Preprint
2024
Exploring the Mechanisms Behind Non Aromatic Fluorescence with Density Functional Tight Binding Method
Gonzalo Díaz Mirón | Carlos R. Lien-Medrano | Debarshi Banerjee | Uriel N. Morzan | Michael A. Sentef | Ralph Gebauer | Ali Hassanali
Journal article
2023
Lessons Learned from Multiobjective Automatic Optimizations of Classical Three-Site Rigid Water Models Using Microscopic and Macroscopic Target Experimental Observables
Journal of Chemical & Engineering Data (2023)
Mattia Perrone | Riccardo Capelli | Charly Empereur-mot | Ali Hassanali | Giovanni M. Pavan
Journal article
2023
The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter
Nature Communications (2023)
Gonzalo Díaz Mirón | Jonathan A. Semelak | Luca Grisanti | Alex Rodriguez | irene conti | Martina Stella | JAYARAMAKRISHNAN VELUSAMY | Nicola Seriani | Nadja Došlić | Ivan Rivalta | MARCO GARAVELLI | Dario Estrin ...
Journal article
2023
Zirconium Coordination Chemistry and Its Role in Optimizing Hydroxymate Chelation: Insights from Molecular Dynamics
ACS Omega (2023)
Giulia Sormani | Aruna Korde | Alex Rodriguez | Melissa Denecke | Ali Hassanali
Journal article
2023
Free energy decompositions illuminate synergistic effects in interfacial binding thermodynamics of mixed surfactant systems
The Journal of Chemical Physics (2023)
Colin K. Egan | Ali Hassanali
Preprint
2023
ZundEig: The Structure of the Proton in Liquid Water From Unsupervised Learning
The Journal of Physical Chemistry B (2023)
Solana Di Pino | Edward Danquah Donkor | Verónica M. Sánchez | Alex Rodriguez | Giuseppe Cassone | Damian Scherlis | Ali Hassanali
Journal article
2023
Examining the origins of observed terahertz modes from an optically pumped atomistic model protein in aqueous solution
PNAS Nexus (2023)
Khatereh Azizi | Matteo Gori | Uriel Morzan | Ali Hassanali | Philip Kurian | P Fratzl
Journal article
2023
Diverging conformations guide dipeptide self-assembly into crystals or hydrogels
Chem. Commun. (2023)
Monti, Marta | Scarel, Erica | Hassanali, Ali A. | Stener, Mauro | Marchesan, Silvia
Journal article
2023
Solvation thermodynamics from cavity shapes of amino acids
PNAS Nexus (2023)
Khatereh Azizi | Alessandro Laio | Ali Hassanali | D Ramkrishna
Journal article
2023
Water Self‐Dissociation is Insensitive to Nanoscale Environments
Angewandte Chemie International Edition (2023)
Solana Di Pino | Yamila Perez Sirkin | Uriel N. Morzan | Veronica M. Sanchez | Ali Hassanali | Damian A. Scherlis
Journal article
2023
Effect of Quantum Delocalization on Temperature Dependent Double Proton Transfer in Molecular Crystals of Terephthalic Acid
The Journal of Physical Chemistry B (2023)
Unmesh Mondal | Ivan Girotto | Ali Hassanali | Prasenjit Ghosh
Journal article
2023
Do Machine-Learning Atomic Descriptors and Order Parameters Tell the Same Story? The Case of Liquid Water
Journal of Chemical Theory and Computation (2023)
Edward Danquah Donkor | Alessandro Laio | Ali Hassanali
Journal article
2023
The collective burst mechanism of angular jumps in liquid water
Nature Communications (2023)
Adu Offei-Danso | Uriel N. Morzan | Alex Rodriguez | Ali Hassanali | Asja Jelic
Journal article
2022
Statistical physics of inhomogeneous transport: Unification of diffusion laws and inference from first-passage statistics.
Physical review. E (2022)
Belousov R | Hassanali A | Roldán É
Journal article
2022
Observation of Strong Synergy in the Interfacial Water Response of Binary Ionic and Nonionic Surfactant Mixtures
The Journal of Physical Chemistry Letters (2022)
Sanghamitra Sengupta | Rahul Gera | Colin Egan | Uriel N. Morzan | Jan Versluis | Ali Hassanali | Huib J. Bakker
Journal article
2022
Learning the Hydrophobic, Hydrophilic, and Aromatic Character of Amino Acids from Thermal Relaxation and Interfacial Thermal Conductance
The Journal of Physical Chemistry B (2022)
Heydar Hamzi | Ali Rajabpour | Édgar Roldán | Ali Hassanali
Journal article
2022
Model Folded Hydrophobic Polymers Reside in Highly Branched Voids
The Journal of Physical Chemistry Letters (2022)
Khatereh Azizi | Alessandro Laio | Ali Hassanali
Journal article
2022
Non-Aromatic Fluorescence in Biological Matter: The Exception or the Rule?
The Journal of Physical Chemistry B (2022)
Uriel N. Morzan | Gonzalo Díaz Mirón | Luca Grisanti | Mariano C. González Lebrero | Gabriele S. Kaminski Schierle | Ali Hassanali
Journal article
2022
Charge Gradients around Dendritic Voids Cause Nanoscale Inhomogeneities in Liquid Water
The Journal of Physical Chemistry Letters (2022)
Tereza Schönfeldová | Nathan Dupertuis | Yixing Chen | Narjes Ansari | Emiliano Poli | David M. Wilkins | Ali Hassanali | Sylvie Roke
Journal article
2022
Intracellular Aβ42 Aggregation Leads to Cellular Thermogenesis
Journal of the American Chemical Society (2022)
Chyi Wei Chung | Amberley D. Stephens | Tasuku Konno | Edward Ward | Edward Avezov | Clemens F. Kaminski | Ali A. Hassanali | Gabriele S. Kaminski Schierle
Journal article
2022
The behavior of methane–water mixtures under elevated pressures from simulations using many-body potentials
The Journal of Chemical Physics (2022)
Victor Naden Robinson | Raja Ghosh | Colin K. Egan | Marc Riera | Christopher Knight | Francesco Paesani | Ali Hassanali
Journal article
2022
High-Dimensional Fluctuations in Liquid Water: Combining Chemical Intuition with Unsupervised Learning
Journal of Chemical Theory and Computation (2022)
Adu Offei-Danso | Ali Hassanali | Alex Rodriguez
Journal article
2022
How to determine solubility in binary mixtures from neutron scattering data: The case of methane and water
The Journal of Chemical Physics (2022)
Ciprian G. Pruteanu | Victor Naden Robinson | Ali Hassanali | Sandro Scandolo | John S. Loveday | Graeme J. Ackland
Journal article
2021
Short hydrogen bonds enhance nonaromatic protein-related fluorescence.
Proceedings of the National Academy of Sciences of the United States of America (2021)
Stephens AD | Qaisrani MN | Ruggiero MT | Díaz Mirón G | Morzan UN | González Lebrero MC | Jones STE | Poli E | Bond AD | Woodhams PJ | Kleist EM | Grisanti L | Kaminski Schierle GS
Journal article
2021
Structure and dynamics of nanoconfined water and aqueous solutions.
The European physical journal. E, Soft matter (2021)
Corti HR | Appignanesi GA | Barbosa MC | Bordin JR | Calero C | Camisasca G | Elola MD | Franzese G | Gallo P | Hassanali A | Huang K | Laria D | Menéndez CA | Szleifer I

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